Toluene → HCID 66612096, compound

HRID 2344495Notes

Reaction equation

HRID 2344495 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:63][CH2:64][Cl:65].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH2:30])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66612003HCID 66612003, compound

Product 1

HCID 66612096HCID 66612096, compound

Sources & evidence

ORD record
ord-d96b8cbc34c5413396978a7d2a921081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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